CID 57349896

Dtxsid801235507

Structural Information

Molecular Formula
C15H20N2O4
SMILES
CCOC(=O)C(=NNC1=CC=CC=C1)CCCCC(=O)O
InChI
InChI=1S/C15H20N2O4/c1-2-21-15(20)13(10-6-7-11-14(18)19)17-16-12-8-4-3-5-9-12/h3-5,8-9,16H,2,6-7,10-11H2,1H3,(H,18,19)
InChIKey
HDQLUPPPXZOZBA-UHFFFAOYSA-N
Compound name
7-ethoxy-7-oxo-6-(phenylhydrazinylidene)heptanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.1423 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.149576 169.2
[M+Na]+ 315.131518 172.1
[M-H]- 291.135024 171.7
[M+NH4]+ 310.176123 183.3
[M+K]+ 331.105458 170.6
[M+H-H2O]+ 275.139560 161.0
[M+HCOO]- 337.140501 192.2
[M+CH3COO]- 351.156151 206.3
[M+Na-2H]- 313.116966 171.1
[M]+ 292.14175142 171.2
[M]- 292.14284858 171.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.